![1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl-3-(p-cumenyl)-2-thiourea](/api/spectrum/HFiyjF6T4y1/structure.png?h=300&w=458 "1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl-3-(p-cumenyl)-2-thiourea")
| SpectraBase Compound ID | 6iswm67bhC6 |
|---|---|
| InChI | InChI=1S/C21H20ClN3O2S/c1-12(2)14-8-10-15(11-9-14)23-21(28)24-20(26)18-13(3)27-25-19(18)16-6-4-5-7-17(16)22/h4-12H,1-3H3,(H2,23,24,26,28) |
| InChIKey | DVJMLMRBXHEUAR-UHFFFAOYSA-N |
| Mol Weight | 413.92 g/mol |
| Molecular Formula | C21H20ClN3O2S |
| Exact Mass | 413.096476 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFiyjF6T4y1 |
|---|---|
| Name | 1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl-3-(p-cumenyl)-2-thiourea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20ClN3O2S |
| InChI | InChI=1S/C21H20ClN3O2S/c1-12(2)14-8-10-15(11-9-14)23-21(28)24-20(26)18-13(3)27-25-19(18)16-6-4-5-7-17(16)22/h4-12H,1-3H3,(H2,23,24,26,28) |
| InChIKey | DVJMLMRBXHEUAR-UHFFFAOYSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 20062M |
| Solvent | Polysol |